CID 71364326

3-methyl-5-phenylpent-2-en-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
CC(=CCO)CCC1=CC=CC=C1
InChI
InChI=1S/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3
InChIKey
RWYNOPXFCUWVIZ-UHFFFAOYSA-N
Compound name
3-methyl-5-phenylpent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 140.9
[M+Na]+ 199.10934 146.8
[M-H]- 175.11284 142.7
[M+NH4]+ 194.15394 160.4
[M+K]+ 215.08328 143.6
[M+H-H2O]+ 159.11738 135.2
[M+HCOO]- 221.11832 162.5
[M+CH3COO]- 235.13397 179.1
[M+Na-2H]- 197.09479 145.8
[M]+ 176.11957 140.1
[M]- 176.12067 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.